! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
F    1.7384253101   1.8710566354  -1.7928222261
F    2.4028476202   0.0245114935  -2.7408927590
O    0.9647789937  -0.9653043802   1.7311190200
N    0.5870064280  -0.8590392856  -0.4982956653
N    4.7677007468   0.3901104635   0.8742517688
N    4.5693670578   0.8842283715  -0.3384602475
C   -3.1772961327   0.9924999961   0.8754064023
C   -1.7998765302   0.3794121376   1.2191770572
C   -3.9188900628  -0.3600982470   0.9977092108
C   -2.1070856991  -0.2506345602   2.6007121004
C   -3.5655500214  -0.7482767945   2.4516102198
C   -1.7525999550  -0.7570837858   0.2336969007
C   -3.0669780638  -1.2227893822   0.1056552688
C   -3.3011025872   1.7298115395  -0.4557211360
C   -0.7371654351  -1.3412721669  -0.5020725178
C   -3.3847347789  -2.2740858161  -0.7283705905
C   -2.2920525073   2.8701628925  -0.5470610561
C   -4.7194602358   2.2594387016  -0.6420444266
C   -1.0568245295  -2.3999974712  -1.3599609628
C   -2.3582252678  -2.8587936500  -1.4704523627
C    1.3466373325  -0.6826860115   0.6067628229
C    2.6978355510  -0.1300241137   0.3957776571
C    3.3269991190   0.5819634946  -0.6529001858
C    3.6811517454  -0.2169292200   1.3597445650
C    2.8236502491   1.0701358371  -1.9596776415
C    6.0425725595   0.5505482729   1.5370539447
H   -3.4921342424   1.6767548772   1.6740943291
H   -0.9477931607   1.0554022250   1.2211369335
H   -4.9857265706  -0.3706323931   0.7772858131
H   -2.0260866338   0.5080243215   3.3812260476
H   -1.4070537021  -1.0460547093   2.8474775358
H   -3.6709042964  -1.8194259778   2.6276709990
H   -4.2341205681  -0.2397797565   3.1487943773
H   -3.0915217223   1.0327253757  -1.2743030620
H   -4.4040090144  -2.6268054422  -0.8281067845
H   -1.2624894020   2.5081811623  -0.5515257422
H   -2.4323826378   3.4453497591  -1.4646086982
H   -2.3943939973   3.5637141131   0.2919732996
H   -5.4620737051   1.4596431292  -0.6344118826
H   -4.9866074716   2.9640103625   0.1500937125
H   -4.8219640870   2.7847552432  -1.5937591146
H   -0.2734690978  -2.8616370962  -1.9495340894
H   -2.5760858304  -3.6756496836  -2.1465118646
H    1.0449196221  -0.8352433153  -1.3953268578
H    3.6680289622  -0.6732129069   2.3364676012
H    3.5913626245   1.6150766487  -2.5091388081
H    5.9273365621   1.1438257038   2.4417321244
H    6.4605258698  -0.4201342928   1.7943394583
H    6.7199751557   1.0615411136   0.8604147022
*